This dashboard summarises analysis of one microsecond molecular dynamics simulations of five conditions:
The summary dashboard shows:
3VRI no peptide initial abacavir conformation
3VRI no peptide flipped abacavir conformation
The top two major collective motions, left to right:
3VRI, HLA-B57:01-RVAQLENVYI in complex with abacavir. 3VRI, minus peptide. 3VRI, minus abacavir. 2RFX, HLA-B57:01-LSSPVTKSF. 2RFX, minus peptide.